methyl N-[2,2,2-tris(chloranyl)-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]carbamate

Systemtic Name: methyl N-[2,2,2-tris(chloranyl)-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]carbamate Openeye Name: methyl N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]carbamate CAS Name: N-[2,2,2-trichloro-1-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)carbamothioylamino]ethyl]carbamate Traditional Name: N-[2,2,2-trichloro-1-[(2,5-dimethylphenyl)thiocarbamoylamino]ethyl]carbamic acid methyl ester Formula: C13H16Cl3N3O2S MolecularWeight: 384.70904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)OC

InChI

InChI=1S/C13H16Cl3N3O2S/c1-7-4-5-8(2)9(6-7)17-11(22)18-10(13(14,15)16)19-12(20)21-3/h4-6,10H,1-3H3,(H,19,20)(H2,17,18,22)